(2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-(4-chlorophenyl)carbamimidothioate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-(4-chlorophenyl)isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-(4-chlorophenyl)isothiourea Formula: C16H16BrClN2O2S MolecularWeight: 415.73244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC(=NC2=CC=C(C=C2)Cl)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC(=NC2=CC=C(C=C2)Cl)N)Br)OC

InChI

InChI=1S/C16H16BrClN2O2S/c1-21-14-7-10(13(17)8-15(14)22-2)9-23-16(19)20-12-5-3-11(18)4-6-12/h3-8H,9H2,1-2H3,(H2,19,20)